CID 3068238

Bl-743

Structural Information

Molecular Formula
C17H28N2O5
SMILES
CCOCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C17H28N2O5/c1-4-22-9-10-23-17(21)19-14-5-7-16(8-6-14)24-12-15(20)11-18-13(2)3/h5-8,13,15,18,20H,4,9-12H2,1-3H3,(H,19,21)
InChIKey
UQYFCQJAESBQLK-UHFFFAOYSA-N
Compound name
2-ethoxyethyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19983 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20711 182.9
[M+Na]+ 363.18905 184.6
[M-H]- 339.19255 183.9
[M+NH4]+ 358.23365 194.7
[M+K]+ 379.16299 183.9
[M+H-H2O]+ 323.19709 174.5
[M+HCOO]- 385.19803 203.6
[M+CH3COO]- 399.21368 214.9
[M+Na-2H]- 361.17450 182.8
[M]+ 340.19928 187.0
[M]- 340.20038 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.